Crystallography Open Database

Information card for entry 9016725

Preview

Coordinates	9016725.cif
External links	AMCSD

Structure parameters

Formula	Fe0.512 H4.073 Mn1.739 Zr0.749
Calculated formula	Fe0.5125 H4.0725 Mn1.7385 Zr0.749
Title of publication	Effect of hydrogen absorption on the structural properties of the hyperstoichiometric alloys Zr(Mn0.72Fe0.28)2+x _cod_database_code 1008569
Authors of publication	Triantafillidis, G.; Pontonnier, L.; Fruchart, D.; Wolfers, P.; Soubeyroux, J.
Journal of publication	Journal of the Less-Common Metals
Year of publication	1991
Journal volume	172
Pages of publication	183 - 190
a	5.336 Å
b	5.336 Å
c	8.697 Å
α	90°
β	90°
γ	120°
Cell volume	214.453 Å³
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Duplicate of	1008569
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292100 (current)	2024-05-29	Inserting Z values into entries of range 9 that miss it	9016725.cif
201816	2017-10-06	cod/ Enhancement: marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop.	9016725.cif
184280	2016-07-07	cif/9/ Marking 756 entries in range 9* as duplicates of other entries in the COD. All entries, containing '_cod_database_code' in their titles, were copied to a separate MySQL table 'duplicates' for comparison of the rest of their titles against the "original" entries. Formulae, both given by authors and calculated, were not compared, since duplicate entries in range 9* do not contain Z values. Command to compare and mark the duplicates: mysql -u root duplicates9 -p -e 'select A.file, B.file from data as A join duplicates as B on A.file = B.duplicateof and replace(replace(replace(A.title, "~", ""), " ", ""), "$-", "") = replace(B.title, " ", "") where A.duplicateof is null' -N \ \| while read -a LINE; \ do \ cat $(cod-locate ${LINE[1]}) <(echo _cod_duplicate_entry ${LINE[0]}) \ \| cif_filter -h $(cod-locate ${LINE[1]}) \ \| sponge $(cod-locate ${LINE[1]}); \ done	9016725.cif
176465	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9.	9016725.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016725.cif